Electron scattering by CO2: Elastic scattering, rotational excitation, and excitation of the asymmetric stretch at 10 eV impact energy

Devarajan Thirumalai, Kunizo Onda, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

Coupled-channels calculations based on an effective potential are presented for electron scattering by CO2 at 10 eV impact energy. The processes studied are pure elastic scattering, rotational excitation, and vibrational excitation of the asymmetric stretch; the vibrational excitation is always accompanied by rotational excitation. The quantities calculated are differential, partial, integral, and momentum transfer cross sections, both state to state and summed over final rotational states for a given final vibrational level. The effective potential is based on the INDOX2/1s method for the static and polarization potentials and the semiclassical exchange approximation for the exchange potential. There are no empirical parameters. The present calculations are compared to experiment and to previous calculations where available, and we also perform calculations with an altered polarization potential to further elucidate the reasons for the differences from one of the previous calculations. The agreement of the present results with the experimental rotationally summed, vibrationally inelastic differential cross section is excellent.

Original languageEnglish (US)
Pages (from-to)6792-6805
Number of pages14
JournalThe Journal of chemical physics
Volume74
Issue number12
DOIs
StatePublished - 1981

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Copyright 2017 Elsevier B.V., All rights reserved.

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